异硫氰酸-4-氯-1-萘酯
TL;DR: 异硫氰酸-4-氯-1-萘酯 (CAS 101670-65-9) is a chemical compound with molecular formula C11H6ClNS and molecular weight 218.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异硫氰酸-4-氯-1-萘酯
1-chloro-4-isothiocyanatonaphthalene
Also Known As: 1-chloro-4-isothiocyanatonaphthalene, 4-Chloro-1-naphthylisothiocyanate, 4-chloro-1-naphthyl isothiocyanate, ISOTHIOCYANIC ACID, 4-CHLORO-1-NAPHTHYL ESTER, Naphthalene,1-chloro-4-isothiocyanato-
| Molecular Formula | C11H6ClNS |
|---|---|
| Molecular Weight | 218.99 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.99095 |
| Heavy Atoms | 14 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 101670-65-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC=C2Cl)N=C=S |
| InChIKey | KMDNKLRJLQTHPA-UHFFFAOYSA-N |
Product Overview
异硫氰酸-4-氯-1-萘酯 (CAS 101670-65-9), with molecular formula C11H6ClNS and molecular weight 218.99 g/mol. IUPAC: 1-chloro-4-isothiocyanatonaphthalene.
Chemical Property Profile of 异硫氰酸-4-氯-1-萘酯
Property Insights of 异硫氰酸-4-氯-1-萘酯
The XLogP value of 5.4 indicates that 异硫氰酸-4-氯-1-萘酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, 异硫氰酸-4-氯-1-萘酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异硫氰酸-4-氯-1-萘酯 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 异硫氰酸-4-氯-1-萘酯?
The CAS number of 异硫氰酸-4-氯-1-萘酯 is 101670-65-9.
What is the molecular formula of 异硫氰酸-4-氯-1-萘酯?
The molecular formula of 异硫氰酸-4-氯-1-萘酯 is C11H6ClNS.
What is the molecular weight of 异硫氰酸-4-氯-1-萘酯?
The molecular weight of 异硫氰酸-4-氯-1-萘酯 is 218.99 g/mol.
Where can I buy 异硫氰酸-4-氯-1-萘酯?
You can request a quote for 异硫氰酸-4-氯-1-萘酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异硫氰酸-4-氯-1-萘酯?
Yes, KEHONG BIO provides custom synthesis services for 异硫氰酸-4-氯-1-萘酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.